Electronic structure of the organic half-metallic magnet: 2-(5-pyrimidinyl)-4,4,5,5-tetramethyl-4,5-dihydro-1h-3-oxoimidazol-1-oxyl

DOI10.1007/S10910-006-9171-0zbMath1110.92063OpenAlexW2094476474MaRDI QIDQ882580

Wei-Dong Zou, Ming-Hu Wu

Publication date: 24 May 2007

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-006-9171-0

zbMATH Keywords

electronic structureab initio methodhalf-metallic propertyorganic magnet

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Uses Software

• WIEN97

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